SCHEMBL146624

SCHEMBL146624

[CH2]Cc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 4/20 0.43
HIF1A Q16665 1/20 0.43
VCAM1 P19320 1/20 0.41
LMNA P02545 4/20 0.40
RECQL P46063 1/20 0.40
PTGES O14684 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.37
ESPL1 Q14674 1/20 0.37
CASP6 P55212 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSK P43235 1/20 0.36
IDO1 P14902 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7472630 0.82 TSHR (0.50) TDP1ATMALDH1A1LMNATSHR
SCHEMBL12208065 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL571701 0.81 ATM (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL76729 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL31455558 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29490181 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL11439528 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28285991 0.81 ATM (0.53) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL23413210 0.80 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
Bromide SCHEMBL9798401 0.80 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 US disclosed
US-9583719-B2 Carbazolocarbazol-bis(dicarboximides) and their use as semiconductors BASF SE (DE) 2017-02-28 US disclosed
US-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 US disclosed
US-9385326-B2 Triangulene oligomers and polymers and their use as hole conducting material BASF SE (DE) 2016-07-05 US disclosed
EP-2742112-B1 CARBAZOLOCARBAZOL-BIS(DICARBOXIMIDES) AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2016-05-18 EP disclosed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP disclosed
EP-2946420-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BASF SE (DE) 2015-11-25 EP disclosed
US-20150333275-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BASF SE (DE) 2015-11-19 US disclosed
US-20150179954-A1 SUBSTITUTED TERRYLENE AND QUATERRYLENE DERIVATES AND USE AS SEMICONDUCTORS THEREOF BASF SE (DE) 2015-06-25 US disclosed
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors BASF SE (DE) 2008-12-04 US disclosed
EP-1987092-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2008-11-05 EP disclosed
EP-1966206-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2008-09-10 EP disclosed
US-20080090325-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF AKTIENGESELLSCHAFT (DE) 2008-04-17 US disclosed
US-20080017850-A1 applying n-type organic semiconducting compound 1,6,7,12-Tetrachloro-N,N'-benzyl-perylene-3,9; 11,12-tetracarboxylic diimide or 1,6,7,12-tetrachloroperylen-3,9; 9,10-tetracarboxylic dianhydride; charge transfer compounds for electronics, optoelectronics and photonic applications; chemical intermediates BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed
WO-2007128774-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF SE (DE) 2007-11-15 WO disclosed
US-20070259475-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS BASF AKTIENGESELLSCHAFT (DE) 2007-11-08 US disclosed
WO-2007093643-A1 FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2007-08-23 WO disclosed
WO-2007074137-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2007-07-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 TDP1 2945/4885ATM 3345/4885ALDH1A1 1455/4885
US-20080300405-A1 Naphthalenetetracarboxylic Aicd Derivatives and their Use as Semiconductors ADSL, ALAD, EED TDP1 4282/4885ATM 774/4885ALDH1A1 1083/4885
US-20150333275-A1 TRIANGULENE OLIGOMERS AND POLYMERS AND THEIR USE AS HOLE CONDUCTING MATERIAL BECN1, TRPA1, TRPV5 TDP1 2607/4885ATM 4409/4885ALDH1A1 2379/4885
US-20150179954-A1 SUBSTITUTED TERRYLENE AND QUATERRYLENE DERIVATES AND USE AS SEMICONDUCTORS THEREOF TST, CD99, TPST2 TDP1 711/4885ATM 369/4885ALDH1A1 1639/4885
US-20080090325-A1 METHOD FOR PRODUCING ORGANIC FIELD-EFFECT TRANSISTORS POF1B, RCOR1, RCOR3 TDP1 2138/4885ATM 4701/4885ALDH1A1 2474/4885
US-20080017850-A1 applying n-type organic semiconducting compound 1,6,7,12-Tetrachloro-N,N'-benzyl-perylene-3,9; 11,12-tetracarboxylic diimide or 1,6,7,12-tetrachloroperylen-3,9; 9,10-tetracarboxylic dianhydride; charge transfer compounds for electronics, optoelectronics and photonic applications; chemical intermediates POF1B, NR2C2, NR2E1 TDP1 2648/4885ATM 4745/4885ALDH1A1 2033/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.